| CAS Number | 1909319-16-9 |
| Catalog Number | AG01C3SP |
| Chemical Name | 5-aminoazepan-2-one dihydrochloride |
| IUPAC Name | 5-aminoazepan-2-one;dihydrochloride |
| InChI | InChI=1S/C6H12N2O.2ClH/c7-5-1-2-6(9)8-4-3-5;;/h5H,1-4,7H2,(H,8,9);2*1H |
| InChI Key | LUUHELZXIFMEIW-UHFFFAOYSA-N |
| MDL Number | MFCD29060549 |
| Molecular Formula | C6H14Cl2N2O |
| Molecular Weight | 201.0942 |
| SMILES | C1CC(=O)NCCC1N.Cl.Cl |
| Synonyms | 5-aminoazepan-2-one dihydrochloride,
1909319-16-9,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.091g/mol |
| Monoisotopic Mass | 200.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number